(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine

C12H23N3S — CID 167047367

IUPAC(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine
SMILESCc1nnc(C[C@H](CC(C)C)NC(C)C)s1
InChIInChI=1S/C12H23N3S/c1-8(2)6-11(13-9(3)4)7-12-15-14-10(5)16-12/h8-9,11,13H,6-7H2,1-5H3/t11-/m0/s1
InChIKeyRUYWTNFIABWLRW-NSHDSACASA-N
MW241.40 g/mol
LogP2.80
Rot. Bonds6

About (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine

(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine (PubChem CID 167047367) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine
PubChem CID167047367
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine
SMILESCc1nnc(C[C@H](CC(C)C)NC(C)C)s1
InChIInChI=1S/C12H23N3S/c1-8(2)6-11(13-9(3)4)7-12-15-14-10(5)16-12/h8-9,11,13H,6-7H2,1-5H3/t11-/m0/s1
InChIKeyRUYWTNFIABWLRW-NSHDSACASA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine (CID 167047367) is (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine is Cc1nnc(C[C@H](CC(C)C)NC(C)C)s1.
What is the InChIKey of (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine?
The InChIKey is RUYWTNFIABWLRW-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3S/c1-8(2)6-11(13-9(3)4)7-12-15-14-10(5)16-12/h8-9,11,13H,6-7H2,1-5H3/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine?
(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 167047367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).